[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-fluorobenzoate
Molecular Formula : C13H10N3O2F | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-fluorobenzoate is a drug-like molecule.
MolName : [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-fluorobenzoate |
MolecularFormula : C13H10N3O2F |
Smiles : N/C(/c1ccncc1)=N/OC(c(cc1)ccc1F)=O |
InChI : InChI=1S/C13H10FN3O2/c14-11-3-1-10(2-4-11)13(18)19-17-12(15)9-5-7-16-8-6-9/h1-8H,(H2,15,17) |
InChIK : BAHXAZNWBMWSQK-UHFFFAOYSA-N |
TotalMolweight : 259.239 |
Molweight : 259.239 |
MonoisotopicMass : 259.075705 |
CLogP : 2.172 |
CLogS : -3.055 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 197.37 |
Relative PSA : 0.308 |
PolarSurfaceArea : 77.57 |
Druglikeness : -4.094 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68421 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |